[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-2-keto-ethyl] ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O6S/c25-19(24-22(27)17-12-28-15-7-2-3-8-16(15)30-17)13-29-21(26)11-5-10-20-23-14-6-1-4-9-18(14)31-20/h1-4,6-9,17H,5,10-13H2,(H,24,25,27)